CAS 81787-94-2

1-(Phenylmethyl)-1H-indole-2-carboxaldehyde

Description:

1-(Phenylmethyl)-1H-indole-2-carboxaldehyde, with the CAS number 81787-94-2, is an organic compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound features a phenylmethyl group (benzyl group) attached to the nitrogen of the indole, as well as an aldehyde functional group at the 2-position of the indole ring. The presence of the aldehyde group contributes to its reactivity, making it a potential candidate for various chemical reactions, including condensation and oxidation. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its unique structure allows for potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the biological activity often associated with indole derivatives. Additionally, the compound may be studied for its properties in organic synthesis and material science. Safety data should be consulted for handling and storage, as with all chemical substances.

Formula: C₁₆H₁₃NO

InChI: InChI=1S/C16H13NO/c18-12-15-10-14-8-4-5-9-16(14)17(15)11-13-6-2-1-3-7-13/h1-10,12H,11H2

InChI key: InChIKey=ZEVVAMDVWHMNDL-UHFFFAOYSA-N

SMILES: C(N1C=2C(C=C1C=O)=CC=CC2)C3=CC=CC=C3

Synonyms:

• 1-(Phenylmethyl)-1H-indole-2-carboxaldehyde
• 1-Benzyl-1H-indole-2-carboxaldehyde
• N-Benzyl-1H-indole-2-carboxaldehyde
• 1H-Indole-2-carboxaldehyde, 1-(phenylmethyl)-
• N-Benzylindole-2-carboxaldehyde